(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate
TL;DR: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate (CAS 868679-54-3) is a chemical compound with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate
Also Known As: AB00676220-01, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-tert-butylbenzoate, F1826-0035, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-(tert-butyl)benzoate
| Molecular Formula | C17H18N2O5 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 3.10822 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.12158 |
| Heavy Atoms | 24 |
| Complexity | 844.76514 |
Chemical Identifiers
| CAS Number | 868679-54-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate (CAS 868679-54-3), with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate.
Chemical Property Profile of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate
Property Insights of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate
The XLogP value of 3.10822 indicates that (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate. Following Lipinski's Rule of Five, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate?
The CAS number of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate is 868679-54-3.
What is the molecular formula of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate?
The molecular formula of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate is C17H18N2O5.
What is the molecular weight of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate?
The molecular weight of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate is 330.12 g/mol.
Where can I buy (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate?
You can request a quote for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.